(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide

C13H17N5O — CID 61180497

IUPAC(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H17N5O/c1-9(2)11(14)13(19)17-10-5-3-6-15-12(10)18-8-4-7-16-18/h3-9,11H,14H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyHJUONBJIQWGANO-NSHDSACASA-N
MW259.31 g/mol
LogP1.19
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide

(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide (PubChem CID 61180497) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
PubChem CID61180497
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H17N5O/c1-9(2)11(14)13(19)17-10-5-3-6-15-12(10)18-8-4-7-16-18/h3-9,11H,14H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyHJUONBJIQWGANO-NSHDSACASA-N
XLogP1.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 61179586
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
(2R)-2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166908
(2R)-2-(2-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166910
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide (CID 61180497) is (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide is CC(C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is HJUONBJIQWGANO-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)11(14)13(19)17-10-5-3-6-15-12(10)18-8-4-7-16-18/h3-9,11H,14H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 61180497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).